SpectraBase Spectrum ID |
AsyJaThL7AC |
Name |
Benzamide, N-tetrahydrofurfuryl-2,3,4-trifluoro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.082013117 u |
Formula |
C12H12F3NO2 |
InChI |
InChI=1S/C12H12F3NO2/c13-9-4-3-8(10(14)11(9)15)12(17)16-6-7-2-1-5-18-7/h3-4,7H,1-2,5-6H2,(H,16,17) |
InChIKey |
IDBKYQDSGBWNNT-UHFFFAOYSA-N |
Molecular Weight |
259.228 g/mol |
SMILES |
C1(=C(C=CC(=C1F)C(NCC1CCCO1)=O)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931587 |